5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide

C18H21N5O — CID 109271995

IUPAC5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C18H21N5O/c1-2-8-19-18(24)16-13-21-17(14-20-16)23-11-9-22(10-12-23)15-6-4-3-5-7-15/h2-7,13-14H,1,8-12H2,(H,19,24)
InChIKeyQWWZWOVSNRHYEP-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.72
Rot. Bonds5

About 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide

5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109271995) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109271995
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C18H21N5O/c1-2-8-19-18(24)16-13-21-17(14-20-16)23-11-9-22(10-12-23)15-6-4-3-5-7-15/h2-7,13-14H,1,8-12H2,(H,19,24)
InChIKeyQWWZWOVSNRHYEP-UHFFFAOYSA-N
XLogP1.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275408
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133307551
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
morpholin-4-yl-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276422
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109224016
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275706
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide (CID 109271995) is 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is QWWZWOVSNRHYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-8-19-18(24)16-13-21-17(14-20-16)23-11-9-22(10-12-23)15-6-4-3-5-7-15/h2-7,13-14H,1,8-12H2,(H,19,24).
What are the key properties of 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide?
5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109271995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).